SCHEMBL2587707

SCHEMBL2587707

Cc1ccc(S(=O)(=O)O)cc1CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NQO2 P16083 1/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3244228 1.00 CA1 (0.54) CA1CA2CA12CA9TDP1
SCHEMBL382478 0.91 NQO2 (0.51) CA1CA2CA12CA9TDP1
SCHEMBL25263115 0.86 CA1 (0.49) CA1CA2CA12CA9NQO2
SCHEMBL21070849 0.86 CA1 (0.49) CA1CA2CA12CA9NQO2
SCHEMBL29040412 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL597639 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL28899596 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL29040477 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL29040418 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1
SCHEMBL28468535 0.81 CA1 (0.48) CA1CA2CA12CA9TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269943-A1 RADIOLABELED ANNEXINS UNIVERSITY OF WASHINGTON (US) 2011-11-03 US disclosed
US-7744853-B2 Radiolabeled annexins PONIARD PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7115248-B2 Radiolabeled annexins NEORX CORPORATION (US) 2006-10-03 US disclosed
US-20060029545-A1 Radiolabeled annexins NEORX CORPORATION, REGENTS OF THE UNIVERSITY OF MICHIGAN 2006-02-09 US disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20050036948-A1 Radiolabeled annexins NEORX CORPORATION (US) 2005-02-17 US disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 EP disclosed
US-20030220233-A1 Radiolabeled annexins NEORX CORPORATION 2003-11-27 US disclosed
US-20020137672-A1 Radiolabeled annexins KASINA SUDHAKAR (US) 2002-09-26 US disclosed
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 US disclosed
EP-0914042-A4 CLUSTER CLEARING AGENTS NEORX CORP (US) 2000-10-25 EP disclosed
US-5968477-A IMAGING AGENTS WITH SULFHYDRYL GROUPS AND HEXOSE GROUPS NEORX CORPORATION (US) 1999-10-19 US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 EP disclosed
EP-0914042-A1 CLUSTER CLEARING AGENTS NEORX CORPORATION (US) 1999-05-12 EP disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 WO disclosed
WO-1997046098-A1 CLUSTER CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060029545-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA1 1557/4885CA2 2516/4885CA12 1214/4885
US-20050036948-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA1 1557/4885CA2 2516/4885CA12 1214/4885
US-20110269943-A1 RADIOLABELED ANNEXINS ANXA11, ANXA1, ANXA3 CA1 1557/4885CA2 2516/4885CA12 1214/4885
US-20020137672-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA1 1557/4885CA2 2516/4885CA12 1214/4885
US-20030220233-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA1 1557/4885CA2 2516/4885CA12 1214/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.